1-(3-chlorophenyl)-N,N-dimethylmethanamine

C9H12ClN — CID 12617447

IUPAC1-(3-chlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3
InChIKeyNMCHMNHSIHVTDC-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-chlorophenyl)-N,N-dimethylmethanamine

1-(3-chlorophenyl)-N,N-dimethylmethanamine (PubChem CID 12617447) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-dimethylmethanamine
PubChem CID12617447
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1-(3-chlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C9H12ClN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3
InChIKeyNMCHMNHSIHVTDC-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N,N-dimethylmethanamine (CID 12617447) is 1-(3-chlorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-dimethylmethanamine is CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-dimethylmethanamine?
The InChIKey is NMCHMNHSIHVTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N,N-dimethylmethanamine?
1-(3-chlorophenyl)-N,N-dimethylmethanamine has a molecular weight of 169.66 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 12617447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).